Direct determination of atom and radical concentrations in thermal reactions of hydrocarbons and other gases

Technical Report · Tue Dec 01 04:00:00 EST 1981

OSTI ID:5455724

Skinner, G B; Pamidimukkala, K M; Wood, D R

This is the sixth annual progress report on this project. During the period covered by the first five reports (June 1976 through December 1980) a shock tube and optical systems to measure H, D and O atom concentrations were built and fully characterized. The performance of our microwave discharge lamps was defined by numerous high-resolution spectroscopic profiles, while empirical calibrations were also made for all three of the above species. H, D and O atom concentrations were measured in gas mixtures containing H/sub 2/, D/sub 2/, O/sub 2/, CD/sub 4/, C/sub 2/H/sub 6/, C/sub 2/D/sub 6/, C/sub 3/H/sub 8/ and C/sub 3/D/sub 8/ in various proportions, and rate constants of several elementary reactions were deduced from the data. During the period covered by this report (January 1 to November 30, 1981) we have made an extensive series of measurements of O concentrations in shock-heated mixtures of C/sub 2/H/sub 6/-O/sub 2/-AR, C/sub 2/D/sub 6/-O/sub 2/-Ar, C/sub 3/H/sub 8/-O/sub 2/-Ar and C/sub 3/D/sub 8/-O/sub 2/-Ar. We have made kinetic modelling calculations for these mixtures to correlate these observed O concentrations, and also our earlier measurements of H and D atom concentrations in similar mixtures, with elementary reaction rate constants. From these calculations we expect to deduce rate constants for a number of reactions. We have also completed a series of O atom measurements in H/sub 2/-N/sub 2/O-Ar and D/sub 2/-N/sub 2/O-Ar mixtures, from which we have obtained good rate constant data for the reactions O + H/sub 2/ ..-->.. OH + H and O + D/sub 2/ ..-->.. OD + D. Our immediate future plans involve meaurements of H and D atoms in the dissociation of benzene, toluene, neopentane and their deuterium analogs leading to direct evaluation of rate constants for the unimolecular dissociation of these substances.

• Research Organization: Wright State Univ., Dayton, OH (USA)
• DOE Contract Number: AS02-76ER02944
• OSTI ID: 5455724
• Report Number(s): DOE/ER/02944-6; ON: DE82010480
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400202* -- Isotope Effects
Isotope Exchange
& Isotope Separation
400301 -- Organic Chemistry-- Chemical & Physicochemical Properties-- (-1987)
ALKANES
ALKYL RADICALS
ARGON
ATOMS
CHALCOGENIDES
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
DECOMPOSITION
DEUTERIUM
DEUTERIUM COMPOUNDS
DISPERSIONS
ELEMENTS
ETHANE
FLUIDS
GASES
HYDROCARBONS
HYDROGEN
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
ISOTOPE EFFECTS
ISOTOPES
KINETICS
LIGHT NUCLEI
METHYL RADICALS
MIXTURES
NITROGEN COMPOUNDS
NITROGEN OXIDES
NITROUS OXIDE
NONMETALS
NUCLEI
ODD-ODD NUCLEI
ORGANIC COMPOUNDS
OXIDES
OXYGEN
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
PROPANE
PYROLYSIS
RADICALS
RARE GASES
REACTION KINETICS
RESEARCH PROGRAMS
SHOCK TUBES
STABLE ISOTOPES
THERMOCHEMICAL PROCESSES
THERMODYNAMIC PROPERTIES